Molecule Details
| InChIKey | LSXUTRRVVSPWDZ-MKKUMYSQSA-N |
|---|---|
| Compound Name | Xevinapant |
| Canonical SMILES | CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16305 |
|---|---|
| Drug Name | Xevinapant |
| CAS Number | 1071992-99-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Benzene Derivatives
Cross-references: BindingDB: 50393505 CHEMBL2158051 ChemSpider: 28424114 ZINC: ZINC000043208643
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13490 | BIRC2 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.4 | IC50 | ChEMBL;BindingDB |
| P98170 | XIAP | Homo sapiens | Human | PF00653 PF21290 PF13920 | 7.3 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O15392 | O15392 | Baculoviral IAP repeat-containing protein 5 | modulator | targets |
| P98170 | XIAP | E3 ubiquitin-protein ligase XIAP | modulator | targets |
| Q13075 | Q13075 | Baculoviral IAP repeat-containing protein 1 | modulator | targets |
| Q13489 | BIRC3 | Baculoviral IAP repeat-containing protein 3 | modulator | targets |
| Q13490 | BIRC2 | Baculoviral IAP repeat-containing protein 2 | modulator | targets |
| Q96CA5 | BIRC7 | Baculoviral IAP repeat-containing protein 7 | modulator | targets |